(3E)-penta-1,3-diene-2,4-diol

C5H8O2 — CID 21340298

IUPAC(3E)-penta-1,3-diene-2,4-diol
SMILESC=C(O)/C=C(\C)O
InChIInChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3,6-7H,1H2,2H3/b5-3+
InChIKeyQLPCGIRHZACXEO-HWKANZROSA-N
MW100.12 g/mol
LogP1.52
Rot. Bonds1

About (3E)-penta-1,3-diene-2,4-diol

(3E)-penta-1,3-diene-2,4-diol (PubChem CID 21340298) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (3E)-penta-1,3-diene-2,4-diol.

Molecular Properties

Compound Name(3E)-penta-1,3-diene-2,4-diol
PubChem CID21340298
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(3E)-penta-1,3-diene-2,4-diol
SMILESC=C(O)/C=C(\C)O
InChIInChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3,6-7H,1H2,2H3/b5-3+
InChIKeyQLPCGIRHZACXEO-HWKANZROSA-N
XLogP1.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5E)-4-[(Z)-but-2-en-2-yl]hepta-1,3,5-triene-2,6-diol
CID 144980471
ethane;(3E)-5-methylhexa-1,3,5-triene-2,4-diol
CID 143687304
(3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol
CID 122535316
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023
(E,2E)-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diol
CID 143337042
pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
(1E)-1-methoxy-3-methylbuta-1,3-dien-1-ol
CID 134856405
methyl 3-hydroxybut-2-enoate
CID 54691070
(3E,5Z)-6-(dimethylamino)-4-methylhexa-1,3,5-trien-2-ol
CID 166800297
ethane;(3E)-3-ethenyl-5-hydroxyhexa-3,5-dien-2-one
CID 169155574
4-hydroxypent-3-en-2-one;titanium
CID 162678859
tris((Z)-4-hydroxypent-3-en-2-one);thulium
CID 131701275

Frequently Asked Questions

What is the IUPAC name of (3E)-penta-1,3-diene-2,4-diol?
The IUPAC name of (3E)-penta-1,3-diene-2,4-diol (CID 21340298) is (3E)-penta-1,3-diene-2,4-diol.
What is the SMILES notation for (3E)-penta-1,3-diene-2,4-diol?
The canonical SMILES for (3E)-penta-1,3-diene-2,4-diol is C=C(O)/C=C(\C)O.
What is the InChIKey of (3E)-penta-1,3-diene-2,4-diol?
The InChIKey is QLPCGIRHZACXEO-HWKANZROSA-N. The full InChI is InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3,6-7H,1H2,2H3/b5-3+.
What are the key properties of (3E)-penta-1,3-diene-2,4-diol?
(3E)-penta-1,3-diene-2,4-diol has a molecular weight of 100.12 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-penta-1,3-diene-2,4-diol is sourced from PubChem (CID 21340298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).